ethyl 3-[5-(aminomethyl)-4-(2-azanyl-3-phenyl-propanoyl)thiophen-3-yl]carbonylaziridine-2-carboxylate

Systemtic Name: ethyl 3-[5-(aminomethyl)-4-(2-azanyl-3-phenyl-propanoyl)thiophen-3-yl]carbonylaziridine-2-carboxylate Openeye Name: ethyl 3-[5-(aminomethyl)-4-(2-amino-3-phenyl-propanoyl)thiophene-3-carbonyl]aziridine-2-carboxylate CAS Name: 3-[[5-(aminomethyl)-4-(2-amino-1-oxo-3-phenylpropyl)-3-thiophenyl]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[5-(aminomethyl)-4-(2-amino-3-phenylpropanoyl)thiophene-3-carbonyl]aziridine-2-carboxylate Traditional Name: 3-[5-(aminomethyl)-4-phenylalanyl-thiophene-3-carbonyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)C2=CSC(=C2C(=O)C(CC3=CC=CC=C3)N)CN

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)C2=CSC(=C2C(=O)C(CC3=CC=CC=C3)N)CN

InChI

InChI=1S/C20H23N3O4S/c1-2-27-20(26)17-16(23-17)18(24)12-10-28-14(9-21)15(12)19(25)13(22)8-11-6-4-3-5-7-11/h3-7,10,13,16-17,23H,2,8-9,21-22H2,1H3